Geometry & MOs

Info

ID:	27137
PubChem CID:	815303
Reduced:	NOSF3C16H18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	-194.34
Dipole, Da:	6.48
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-5-(4-fluorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCS[C@@H]2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations